SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_2750 FitnessBrowser__acidovorax_3H11:Ac3H11_2750 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

2b24A Crystal structure of naphthalene 1,2-dioxygenase from rhodococcus sp. Bound to indole (see paper)
34% identity, 93% coverage: 31:462/466 of query aligns to 28:435/440 of 2b24A

query
sites
2b24A

L

I

S

N

D

D

P

P

E

E

L

V

Y

H

E

D

L

V

E

E

M

R

E

E

R

R

I

I

F

F

G

G

K

H

I

A

W

W

V

V

F

F

L

L

G

A

H

H

E

E

S

S

E

E

I

I

P

P

N

E

S

R

G

G

D

D

F

Y

V

V

T

V

R

R

D

Y

M

I

G

S

S

E

D

D

S

Q

V

F

L

I

V

V

T

C

R

R

D

D

K

E

S

G

G

G

E

E

V

I

H

R

V

G

L

H

L

L

N

N

L

A

C
|
C

T

R

H
|
H

R
|
R

G

G

M

M

R

Q

V

V

S

C

T

R

L

A

D

E

A

M

G

G

N

N

T

T

Q

S

I

H

H

F

T

R

C
|
C

I

P

Y
|
Y

H
|
H

G

G

W
|
W

A

T

F

Y

R

S

P

N

N

T

G

G

A

S

F

L

L

V

G

G

A

V

P

P

V

A

E

G

K

K

E

D

T

A

M

-

H

Y

G

G

K

N

M

Q

M

L

S

K

K

K

E

S

E

D

L

W

G

N

L

L

K

R

K

P

-

M

A

P

R

N

V

L

T

A

L

S

Y

Y

G

K

G

G

L

L

I

I

F

F

A

G

T

S

W

L

N

D

I

P

D

H

G

A

P

D

S

S

F

L

E

E

E

D

F

Y

L

L

G

G

D

D

A

L

K

K

W

F

Y

Y

Y

L

D

D

I

I

L

V

F

L

K

D

R

R

T

S

D

D

K

A

G

G

M

L

E

Q

V

V

L

V

G

G

P

A

P

P

Q

Q

R

R

F

W

T

V

V

I

R

D

A

A

N

N

W

W

K

K

A

L

A

G

G

A

E

D

Q

N

S

F

A

V

A

G

D
|
D

G
x
A

Y

Y

H
|
H

T
|
T

L

M

T

M

L

T

H
|
H

R

R

W

S

L

M

G

V

E

E

V

L

G

G

N

-

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

L

S

A

P

P

E

P

M

D

Y

P

G

Q

V

F

E

A

V

L

S

Y

S

G

P

E

H

H

G

I

H

H

A

T

L

G

R

-

C

-

I

-

D

-

L

-

G

-

R

H

K

G

I

H

R

G

R

L

M

G

T

I

G

I

L

G

D

P

P

P

D

P

V

G

L

M

S

P

V

L

D

P

E

E

K

F

L

M

N

-

A

-

L

-

P

-

P

-

A

-

G

G

M

L

T

P

K

E

E

N

M

I

V

V

E

E

Q

E

L

L

K

E

R

R

N

R

L

L

T

T

P

P

E

E

Q

Q

L

V

H

E

V

I

Q

F

T

R

S

P

M

T

P

A

P
x
F

Q

I

V
x
H

G

G

G

T

I

V

F

F

P

P

N

N

V

L

L

S

F

I

G

G

-

N

F
|
F

V

L

Y

M

I

G

P

K

Q

D

A

H

D

L

G

S

S

A

V

P

V

T

G

A

S

F

M

L

T

T

M

L

H

R

A

L

Y

W

V

H

P

P

K

L

G

G

P

P

D

D

K

K

L

M

E

E

F

V

V

M

N

S

W

F

I

F

F

L

A

V

E

E

K

K

D

D

A

A

P

P

Q

D

E

W

L

F

R

K

D

D

K

E

M

S

L

Y

R

K

Q

S

T

Y

I

L

Q

R

L

T

F
|
F

G

G

T

I

S

S

G

G

M

G

V

F

E

E

Q

Q

D

D

D
|
D

S

A

D

E

T

N

W

W

P

R

H

S

M

I

T

T

L

R

A

V

A

M

K

G

G

G

A

Q

Q

F

G

A

K

K

K

T

M

G

T

E

L

L

K

N

Y

Y

Q

Q

A

M

V

G

Y

R

E

G

T

V

G

L

A

E

P

P

K

D

-

P

G

N

W

W

P

T

G

G

P

P

G

G

I

E

V

A

N

Y

E

P

G

L

F

D

T

Y

K

A

D

E

D

A

T

N

Q

Q

W

R

H

N

W

F

W

L

L

E

Y

Y

W

W

R

M

Q

Q

L

L

M

M

active site: H111 (= H114), D213 (= D216), H216 (= H219), H221 (= H224), D372 (= D400)
binding fe (iii) ion: H216 (= H219), H221 (= H224), D372 (= D400)
binding fe2/s2 (inorganic) cluster: C88 (= C91), H90 (= H93), R91 (= R94), C108 (= C111), Y110 (= Y113), H111 (= H114), W113 (= W116)
binding indole: D213 (= D216), A214 (≠ G217), H216 (= H219), T217 (= T220), F293 (≠ P322), H295 (≠ V324), F307 (= F335), F362 (= F390)

2b1xA Crystal structure of naphthalene 1,2-dioxygenase from rhodococcus sp. (see paper)
34% identity, 93% coverage: 31:462/466 of query aligns to 28:435/441 of 2b1xA

query
sites
2b1xA

L

I

S

N

D

D

P

P

E

E

L

V

Y

H

E

D

L

V

E

E

M

R

E

E

R

R

I

I

F

F

G

G

K

H

I

A

W

W

V

V

F

F

L

L

G

A

H

H

E

E

S

S

E

E

I

I

P

P

N

E

S

R

G

G

D

D

F

Y

V

V

T

V

R

R

D

Y

M

I

G

S

S

E

D

D

S

Q

V

F

L

I

V

V

T

C

R

R

D

D

K

E

S

G

G

G

E

E

V

I

H

R

V

G

L

H

L

L

N

N

L

A

C
|
C

T

R

H
|
H

R
|
R

G

G

M

M

R

Q

V

V

S

C

T

R

L

A

D

E

A

M

G

G

N

N

T

T

Q

S

I

H

H

F

T

R

C
|
C

I

P

Y
|
Y

H
|
H

G

G

W
|
W

A

T

F

Y

R

S

P

N

N

T

G

G

A

S

F

L

L

V

G

G

A

V

P

P

V

A

E

G

K

K

E

D

T

A

M

-

H

Y

G

G

K

N

M

Q

M

L

S

K

K

K

E

S

E

D

L

W

G

N

L

L

K

R

K

P

-

M

A

P

R

N

V

L

T

A

L

S

Y

Y

G

K

G

G

L

L

I

I

F

F

A

G

T

S

W

L

N

D

I

P

D

H

G

A

P

D

S

S

F

L

E

E

E

D

F

Y

L

L

G

G

D

D

A

L

K

K

W

F

Y

Y

Y

L

D

D

I

I

L

V

F

L

K

D

R

R

T

S

D

D

K

A

G

G

M

L

E

Q

V

V

L

V

G

G

P

A

P

P

Q

Q

R

R

F

W

T

V

V

I

R

D

A

A

N

N

W

W

K

K

A

L

A

G

G

A

E

D

Q

N

S

F

A

V

A

G

D
|
D

G

A

Y

Y

H
|
H

T

T

L

M

T

M

L

T

H
|
H

R

R

W

S

L

M

G

V

E

E

V

L

G

G

N

-

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

L

S

A

P

P

E

P

M

D

Y

P

G

Q

V

F

E

A

V

L

S

Y

S

G

P

E

H

H

G

I

H

H

A

T

L

G

R

-

C

-

I

-

D

-

L

-

G

-

R

H

K

G

I

H

R

G

R

L

M

G

T

I

G

I

L

G

D

P

P

P

D

P

V

G

L

M

S

P

V

L

D

P

E

E

K

F

L

M

N

-

A

-

L

-

P

-

P

-

A

-

G

G

M

L

T

P

K

E

E

N

M

I

V

V

E

E

Q

E

L

L

K

E

R

R

N

R

L

L

T

T

P

P

E

E

Q

Q

L

V

H

E

V

I

Q

F

T

R

S

P

M

T

P

A

P

F

Q

I

V

H

G

G

G

T

I

V

F

F

P

P

N

N

V

L

L

S

F

I

G

G

-

N

F

F

V

L

Y

M

I

G

P

K

Q

D

A

H

D

L

G

S

S

A

V

P

V

T

G

A

S

F

M

L

T

T

M

L

H

R

A

L

Y

W

V

H

P

P

K

L

G

G

P

P

D

D

K

K

L

M

E

E

F

V

V

M

N

S

W

F

I

F

F

L

A

V

E

E

K

K

D

D

A

A

P

P

Q

D

E

W

L

F

R

K

D

D

K

E

M

S

L

Y

R

K

Q

S

T

Y

I

L

Q

R

L

T

F

F

G

G

T

I

S

S

G

G

M

G

V

F

E

E

Q

Q

D

D

D
|
D

S

A

D

E

T

N

W

W

P

R

H

S

M

I

T

T

L

R

A

V

A

M

K

G

G

G

A

Q

Q

F

G

A

K

K

K

T

M

G

T

E

L

L

K

N

Y

Y

Q

Q

A

M

V

G

Y

R

E

G

T

V

G

L

A

E

P

P

K

D

-

P

G

N

W

W

P

T

G

G

P

P

G

G

I

E

V

A

N

Y

E

P

G

L

F

D

T

Y

K

A

D

E

D

A

T

N

Q

Q

W

R

H

N

W

F

W

L

L

E

Y

Y

W

W

R

M

Q

Q

L

L

M

M

active site: H111 (= H114), D213 (= D216), H216 (= H219), H221 (= H224), D372 (= D400)
binding fe (iii) ion: H216 (= H219), H221 (= H224), D372 (= D400)
binding fe2/s2 (inorganic) cluster: C88 (= C91), H90 (= H93), R91 (= R94), C108 (= C111), Y110 (= Y113), H111 (= H114), W113 (= W116)

Q53122 Biphenyl 2,3-dioxygenase subunit alpha; Biphenyl dioxygenase system, oxygenase component subunit alpha; BDO, oxygenase component subunit alpha; Rieske dioxygenase; Terminal oxygenase component of biphenyl dioxygenase, large subunit; EC 1.14.12.18 from Rhodococcus jostii (strain RHA1) (see paper)
34% identity, 87% coverage: 15:418/466 of query aligns to 22:396/460 of Q53122

query
sites
Q53122

V

I

V

A

D

E

L

L

V

V

N

D

V

E

N

R

T

T

R

G

E

R

V

L

Q

D

M

P

R

R

A

I

L

Y

S

T

D

D

P

E

E

A

L

L

Y

Y

E

E

L

Q

E

E

M

L

E

E

R

R

I

I

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

M

G

G

H

H

E

E

S

T

E

Q

I

I

P

P

N

K

S

A

G

G

D

D

F

F

V

M

T

T

R

N

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

M

V

V

T

V

R

R

D

Q

K

K

S

N

G

G

E

E

V

I

H

R

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R

R

G

G

M

M

R

R

V

I

S

C

T

R

L

A

D

D

A

G

G

G

N

N

T

A

Q

K

I

S

H

F

T

T

C
|
C

I

S

Y

Y

H
|
H

G

G

W

W

A

A

F

Y

R

D

P

T

N

G

G

G

A

N

F

L

L

V

G

S

A

V

P

P

V

F

E

E

K

E

E

Q

T

A

M

F

H

P

G

G

K

-

M

-

M

L

S

R

K

K

E

E

E

D

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

E

L

T

Y

Y

G

K

G

G

L

L

I

I

F

F

A

A

T

N

W

W

N

D

I

A

D

D

G

A

P

P

S

D

F

L

E

D

E

T

F

Y

L

L

G

G

D

E

A

A

K

K

W

F

Y

Y

Y

M

D

D

I

H

L

M

F

L

K

D

R

R

T

T

D

E

K

A

G

G

M

T

E

E

V

A

L

I

G

P

P

G

P

I

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A
x
C

A
x
S

D
|
D

G
x
M

Y
|
Y

H
|
H

T
x
A

L

-

T

-

L

-

H

-

R

-

W

-

L

-

G
|
G

E
x
T

V
x
T

G
x
S

N
x
H

Y

L

S

S

K

G

K

I

G

L

E

A

G

G

E

L

G

P

S

D

G

G

G

V

D

D

L

L

S

S

-

E

-

L

-

A

P

P

E

P

M

T

Y

E

G

G

V

I

E

Q

V

Y

S

R

S

A

P

T

H

W

G

G

H

G

A

H

L

G

R

S

C

G

I

F

D

Y

L

I

G

G

R

-

K

-

I

-

R

-

R

-

M

-

T

-

G

-

L

-

D

D

P

P

D

N

V

L

L

L

-

L

-

A

-

I

-

M

-

G

-

P

S

K

V

V

D

T

E

E

K

Y

L

W

N

T

A

Q

L

G

P

P

P

A

A

A

G

E

M

K

T

A

K

S

E

E

M

R

V

L

E

G

Q

S

L

T

K

E

R

R

N

G

L

-

T

-

P

-

E

Q

Q

Q

L

L

H

M

V

A

Q

Q

T

H

S

M

M

T

P

-

P

-

Q

-

V

-

G

-

G

-

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I

-

P

-

Q

-

A

-

D

-

G

-

S

-

V

L

V

P

G

G

S

I

M

N

T

T

M

I

H

R

A

A

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

V

A

V

E

D

K

A

D

D

A

A

P

P

Q

E

E

E

L

M

R

K

D

E

K

E

M

Y

L

R

R

Q

Q

Q

T

T

I

L

Q

R

L

T

F

F

G

S

T

A

S

G

G

G

M

V

V

F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

Q

A

V

A

L

K

R

G

G

A

H

Q

K

G

A

K

R

K

S

C98 (= C91) binding
H100 (= H93) binding
C118 (= C111) binding
H121 (= H114) binding
217:230 (vs. 212:232, 24% identical) binding
H224 (= H219) binding
H230 (≠ N232) binding
D378 (= D400) binding

1uliC Biphenyl dioxygenase (bpha1a2) derived from rhodococcus sp. Strain rha1 (see paper)
32% identity, 87% coverage: 15:418/466 of query aligns to 6:368/425 of 1uliC

query
sites
1uliC

V

I

V

A

D

E

L

L

V

V

N

D

V

E

N

R

T

T

R

G

E

R

V

L

Q

D

M

P

R

R

A

I

L

Y

S

T

D

D

P

E

E

A

L

L

Y

Y

E

E

L

Q

E

E

M

L

E

E

R

R

I

I

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

M

G

G

H

H

E

E

S

T

E

Q

I

I

P

P

N

K

S

A

G

G

D

D

F

F

V

M

T

T

R

N

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

M

V

V

T

V

R

R

D

Q

K

K

S

N

G

G

E

E

V

I

H

R

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

A

D

D

A

G

G

G

N

N

T

A

Q

K

I

S

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

T

N

G

G

G

A

N

F

L

L

V

G

S

A

V

P

P

V

F

E

E

K

E

E

Q

T

A

M

F

H

P

G

G

K

-

M

-

M

L

S

R

K

K

E

E

E

D

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

E

L

T

Y

Y

G

K

G

G

L

L

I

I

F

F

A

A

T

N

W

W

N

D

I

A

D

D

G

A

P

P

S

D

F

L

E

D

E

T

F

Y

L

L

G

G

D

E

A

A

K

K

W

F

Y

Y

Y

M

D

D

I

H

L

M

F

L

K

D

R

R

T

T

D

E

K

A

G

G

M

T

E

E

V

A

L

I

G

P

P

G

P

I

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S

F

A

C

A

S

D
|
D

G

M

Y

Y

H
|
H

T

A

L

G

T

T

L

T

H

S

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

L

S

T

K

E

K

G

G

I

E

Q

G

Y

E

R

G

A

S

T

G

W

G

G

D

G

L

H

S

G

P

S

E

G

M

F

Y

Y

G

-

V

-

E

-

V

I

S

G

S

D

P

P

H

N

G

-

H

-

A

-

L

L

R

L

C

L

I

A

D

I

L

M

G

G

R

P

K

K

I

V

R

T

R

E

M

Y

T

W

G

T

L

Q

D

G

P

P

D

A

V

A

L

E

S

K

V

A

D

S

E

E

K

R

L

L

N

-

A

-

L

-

P

-

P

-

A

-

G

G

M

S

T

T

K

E

E

R

M

G

V

Q

E

Q

Q

L

L

M

K

A

R

Q

N

H

L

M

T

T

P

-

E

-

Q

-

L

-

H

-

V

-

Q

-

T

-

S

-

M

-

P

-

P

-

Q

-

V

-

G

-

G

-

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I

-

P

-

Q

-

A

-

D

-

G

-

S

-

V

L

V

P

G

G

S

I

M

N

T

T

M

I

H

R

A

A

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

V

A

V

E

D

K

A

D

D

A

A

P

P

Q

E

E

E

L

M

R

K

D

E

K

E

M

Y

L

R

R

Q

Q

Q

T

T

I

L

Q

R

L

T

F

F

G

S

T

A

S

G

G

G

M

V

V

F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

Q

A

V

A

L

K

R

G

G

A

H

Q

K

G

A

K

R

K

S

active site: H105 (= H114), D205 (= D216), H208 (= H219), H214 (≠ R225), D350 (= D400)
binding fe (ii) ion: Q201 (= Q212), H208 (= H219), H214 (≠ R225), D350 (= D400)
binding fe2/s2 (inorganic) cluster: C82 (= C91), H84 (= H93), R85 (= R94), M87 (= M96), C102 (= C111), Y104 (= Y113), H105 (= H114), W107 (= W116)

1uljA Biphenyl dioxygenase (bpha1a2) in complex with the substrate (see paper)
32% identity, 87% coverage: 15:418/466 of query aligns to 6:370/425 of 1uljA

query
sites
1uljA

V

I

V

A

D

E

L

L

V

V

N

D

V

E

N

R

T

T

R

G

E

R

V

L

Q

D

M

P

R

R

A

I

L

Y

S

T

D

D

P

E

E

A

L

L

Y

Y

E

E

L

Q

E

E

M

L

E

E

R

R

I

I

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

M

G

G

H

H

E

E

S

T

E

Q

I

I

P

P

N

K

S

A

G

G

D

D

F

F

V

M

T

T

R

N

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

M

V

V

T

V

R

R

D

Q

K

K

S

N

G

G

E

E

V

I

H

R

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

A

D

D

A

G

G

G

N

N

T

A

Q

K

I

S

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

T

N

G

G

G

A

N

F

L

L

V

G

S

A

V

P

P

V

F

E

E

K

E

E

Q

T

A

M

F

H

P

G

G

K

-

M

-

M

L

S

R

K

K

E

E

E

D

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

E

L

T

Y

Y

G

K

G

G

L

L

I

I

F

F

A

A

T

N

W

W

N

D

I

A

D

D

G

A

P

P

S

D

F

L

E

D

E

T

F

Y

L

L

G

G

D

E

A

A

K

K

W

F

Y

Y

Y

M

D

D

I

H

L

M

F

L

K

D

R

R

T

T

D

E

K

A

G

G

M

T

E

E

V

A

L

I

G

P

P

G

P

I

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G
x
M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

T

H

S

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

-

G

-

L

-

P

-

P

-

T

-

E

-

G

-

I

N

Q

Y

Y

S

R

K

A

K

T

G

W

E

G

G

G

E

H

G

G

S

S

G

-

G

-

D

-

L

-

S

-

P

-

E

-

M

-

Y

-

G

G

V

F

E

Y

V

I

S

G

S

D

P

P

H

N

G

-

H

-

A

-

L
|
L

R

L

C

L

I

A

D
x
I

L

M

G

G

R

P

K

K

I

V

R

T

R

E

M

Y

T

W

G

T

L

Q

D

G

P

P

D

A

V

A

L

E

S

K

V

A

D

S

E

E

K

R

L

L

N

-

A

-

L

-

P

-

P

-

A

-

G

G

M

S

T

T

K

E

E

R

M

G

V

Q

E

Q

Q

L

L

M

K
x
A

R

Q

N
x
H

L

M

T

T

P

-

E

-

Q

-

L

-

H

-

V

-

Q

-

T

-

S

-

M

-

P

-

P

-

Q

-

V

-

G

-

G

-

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I

-

P

-

Q

-

A

-

D

-

G

-

S

-

V
x
L

V

P

G

G

S

I

M

N

T

T

M

I

H

R

A

A

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

V

A

V

E

D

K

A

D

D

A

A

P

P

Q

E

E

E

L

M

R

K

D

E

K

E

M

Y

L

R

R

Q

Q

Q

T

T

I

L

Q

R

L

T

F
|
F

G

S

T

A

S

G

G

G

M

V

V
x
F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

Q

A

V

A

L

K

R

G

G

A

H

Q

K

G

A

K

R

K

S

active site: H105 (= H114), D205 (= D216), H208 (= H219), H214 (≠ R225), D352 (= D400)
binding biphenyl: Q201 (= Q212), F202 (≠ S213), D205 (= D216), M206 (≠ G217), H208 (= H219), A209 (≠ T220), H214 (≠ R225), L248 (= L263), I252 (≠ D267), A285 (≠ K306), H287 (≠ N308), L297 (≠ V345), F342 (= F390), F348 (≠ V396)
binding fe (ii) ion: Q201 (= Q212), H208 (= H219), H214 (≠ R225), D352 (= D400)
binding fe2/s2 (inorganic) cluster: C82 (= C91), H84 (= H93), R85 (= R94), M87 (= M96), C102 (= C111), Y104 (= Y113), H105 (= H114), W107 (= W116)

5aeuA Crystal structure of ii9 variant of biphenyl dioxygenase from burkholderia xenovorans lb400 (see paper)
34% identity, 85% coverage: 29:424/466 of query aligns to 21:386/433 of 5aeuA

query
sites
5aeuA

R

R

A

I

L

Y

S

A

D

D

P

Q

E

S

L

L

Y

Y

E

E

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

L

G

G

H

H

E

E

S

S

E

H

I

V

P

P

N

E

S

T

G

G

D

D

F

F

V

L

T

A

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

V

V

M

T

V

R

R

D

Q

K

K

S

D

G

K

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

S

D

D

A

A

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

K

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

-

H

-

G

-

K

-

M

F

M

F

S

D

K

K

E

A

E

E

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

A

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

V

D

Q

G

A

P

P

S

D

F

L

E

E

E

T

F

Y

L

L

G

G

D

D

A

A

K

R

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

P

K

A

G

G

M

T

E

V

V

A

L

I

G

G

P

G

P

M

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q

Q

S

F

A

C

A

S

D
|
D

G

M

Y

Y

H
|
H

T

A

L

G

T

T

L

T

H

T

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

I

S

P

P

P

E

E

M

M

Y

D

G

L

V

S

E

Q

V

A

S

Q

S

I

P

P

H

-

G

-

H

-

A

-

L

-

R

-

C

-

I

-

D

T

L

K

G

G

R

N

K

Q

I

F

R

R

R

A

M

A

T

W

G

G

L

G

D

H

P

G

D

S

V

G

L

W

S

Y

V

V

D

D

E

E

K

P

L

G

N

S

A

L

L

L

P

A

P

V

A

M

G

G

-

P

-

K

M

V

T

T

K

Q

E

Y

M

W

V

T

E

E

Q

G

L

P

K

A

R

A

N

E

L

L

T

A

P

E

E

Q

Q

R

L

L

H

G

V

-

Q

H

T

T

S

G

M

M

P

P

P

V

Q

R

-

R

-

M

V

V

G

G

-

Q

-

H

-

M

G

T

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I

-

P

-

Q

-

A

-

D

-

G

-

S

-

V

L

V

P

G

G

S

I

M

N

T

T

M

I

H

R

A

T

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

L

A

V

E

D

K

A

D

D

A

A

P

P

Q

A

E

E

L

I

R

K

D

E

K

E

M

Y

L

R

R

R

Q

H

T

N

I

I

Q

R

L

N

F

F

G

S

T

A

S

G

G

G

M

V

V

F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

K

A

G

A

L

K

R

G

G

A

Y

Q

K

G

A

K

K

K

S

M

Q

T

P

L

L

K

N

Y

A

Q

Q

active site: H106 (= H114), D204 (= D216), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding fe (ii) ion: H207 (= H219), H213 (≠ R225), D362 (= D400)
binding fe2/s2 (inorganic) cluster: C83 (= C91), H85 (= H93), R86 (= R94), M88 (= M96), C103 (= C111), Y105 (= Y113), H106 (= H114), W108 (= W116)

2xshA Crystal structure of p4 variant of biphenyl dioxygenase from burkholderia xenovorans lb400 in complex with 2,6 di chlorobiphenyl (see paper)
33% identity, 85% coverage: 29:424/466 of query aligns to 21:386/433 of 2xshA

query
sites
2xshA

R

R

A

I

L

Y

S

A

D

D

P

Q

E

S

L

L

Y

Y

E

E

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

L

G

G

H

H

E

E

S

S

E

H

I

V

P

P

N

E

S

T

G

G

D

D

F

F

V

L

T

A

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

V

V

M

T

V

R

R

D

Q

K

K

S

D

G

K

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

S

D

D

A

A

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

K

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

-

H

-

G

-

K

-

M

F

M

F

S

D

K

K

E

A

E

E

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

A

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

V

D

Q

G

A

P

P

S

D

F

L

E

E

E

T

F

Y

L

L

G

G

D

D

A

A

K

R

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

P

K

A

G

G

M

T

E

V

V

A

L

I

G

G

P

G

P

M

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G
x
M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

T

H

T

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

I

S

P

P

P

E

E

M

M

Y

D

G

L

V

S

E

Q

V

A

S

Q

S

I

P

P

H

-

G

-

H

-

A

-

L

-

R

-

C

-

I

-

D

T

L

K

G

G

R

N

K

Q

I

F

R

R

R

A

M

A

T

W

G

G

L

G

D

H

P

G

D

S

V

G

L

W

S

Y

V

V

D

D

E

E

K

P

L

G

N
x
S

A

L

L

L

P

A

P
x
V

A

M

G

G

-

P

-

K

M

V

T

T

K

Q

E

Y

M

W

V

T

E

E

Q

G

L

P

K

A

R

A

N

E

L

L

T

A

P

E

E

Q

Q

R

L

L

H

G

V

-

Q

H

T

T

S

G

M

M

P

P

P

V

Q

R

-

R

-

M

V

V

G

G

-
x
Q

-
x
H

-

M

G

T

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I
x
L

P

P

Q

A

A

M

D

N

G

-

S

-

V

-

V

-

G

-

S

-

M

-

T

N

M

I

H

R

A

I

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

L

A

V

E

D

K

A

D

D

A

A

P

P

Q

A

E

E

L

I

R

K

D

E

K

E

M

Y

L

R

R

R

Q

H

T

N

I

I

Q

R

L

N

F

F

G

S

T

A

S

G

G

G

M

V

V
x
F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

K

A

G

A

L

K

R

G

G

A

Y

Q

K

G

A

K

K

K

S

M

Q

T

P

L

L

K

N

Y

A

Q

Q

active site: H106 (= H114), D204 (= D216), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding 2,6-dichlorobiphenyl: Q200 (= Q212), F201 (≠ S213), D204 (= D216), M205 (≠ G217), H207 (= H219), A208 (≠ T220), H213 (≠ R225), S257 (≠ N290), V261 (≠ P294), Q296 (vs. gap), H297 (vs. gap), L307 (≠ I338), F358 (≠ V396)
binding fe (ii) ion: Q200 (= Q212), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding fe2/s2 (inorganic) cluster: C83 (= C91), H85 (= H93), R86 (= R94), M88 (= M96), C103 (= C111), Y105 (= Y113), H106 (= H114), W108 (= W116)

2xrxA Crystal structure of biphenyl dioxygenase in complex with biphenyl from burkholderia xenovorans lb400 (see paper)
33% identity, 85% coverage: 29:424/466 of query aligns to 21:385/432 of 2xrxA

query
sites
2xrxA

R

R

A

I

L

Y

S

A

D

D

P

Q

E

S

L

L

Y

Y

E

E

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

L

G

G

H

H

E

E

S

S

E

H

I

V

P

P

N

E

S

T

G

G

D

D

F

F

V

L

T

A

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

V

V

M

T

V

R

R

D

Q

K

K

S

D

G

K

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

S

D

D

A

A

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

K

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

-

H

-

G

-

K

-

M

-

M

F

S

D

K

K

E

A

E

E

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

A

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

V

D

Q

G

A

P

P

S

D

F

L

E

E

E

T

F

Y

L

L

G

G

D

D

A

A

K

R

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

P

K

A

G

G

M

T

E

V

V

A

L

I

G

G

P

G

P

M

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G
x
M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

T

H

T

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

I

S

P

P

P

E

E

M

M

Y

D

G

L

V

S

E

Q

V

A

S

Q

S

I

P

P

H

-

G

-

H

-

A

-

L

-

R

-

C

-

I

-

D

T

L

K

G

G

R

N

K

Q

I

F

R

R

R

A

M

A

T

W

G

G

L

G

D

H

P

G

D

S

V

G

L

W

S

Y

V

V

D

D

E

E

K

P

L

G

N

S

A

L

L

L

P

A

P

V

A

M

G

G

-

P

-

K

M

V

T

T

K

Q

E

Y

M

W

V

T

E

E

Q

G

L

P

K

A

R

A

N

E

L

L

T

A

P

E

E

Q

Q

R

L

L

H

G

V

-

Q

H

T

T

S

G

M

M

P

P

P

V

Q

R

-

R

-

M

V

V

G
|
G

-

Q

-
x
H

-

M

G

T

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I
x
L

P

P

Q

T

A
x
F

D

N

G

-

S

-

V

-

V

-

G

-

S

-

M

-

T

N

M

I

H

R

A

I

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

L

A

V

E

D

K

A

D

D

A

A

P

P

Q

A

E

E

L

I

R

K

D

E

K

E

M

Y

L

R

R

R

Q

H

T

N

I

I

Q

R

L

N

F

F

G

S

T

A

S

G

G

G

M

V

V
x
F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

K

A

G

A

L

K

R

G

G

A

Y

Q

K

G

A

K

K

K

S

M

Q

T

P

L

L

K

N

Y

A

Q

Q

active site: H106 (= H114), D203 (= D216), H206 (= H219), H212 (≠ R225), D361 (= D400)
binding biphenyl: Q199 (= Q212), F200 (≠ S213), D203 (= D216), M204 (≠ G217), H206 (= H219), A207 (≠ T220), G294 (= G325), H296 (vs. gap), L306 (≠ I338), F309 (≠ A341), F357 (≠ V396)
binding fe (ii) ion: Q199 (= Q212), H206 (= H219), H212 (≠ R225), D361 (= D400)
binding fe2/s2 (inorganic) cluster: C83 (= C91), H85 (= H93), R86 (= R94), M88 (= M96), C103 (= C111), Y105 (= Y113), H106 (= H114), W108 (= W116)

2yflA Crystal structure of biphenyl dioxygenase variant rr41 with 2-chloro dibenzofuran (see paper)
33% identity, 85% coverage: 29:424/466 of query aligns to 21:386/433 of 2yflA

query
sites
2yflA

R

R

A

I

L

Y

S

A

D

D

P

Q

E

S

L

L

Y

Y

E

E

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

L

G

G

H

H

E

E

S

S

E

H

I

V

P

P

N

E

S

T

G

G

D

D

F

F

V

L

T

A

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

V

V

M

T

V

R

R

D

Q

K

K

S

D

G

K

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

S

D

D

A

A

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

K

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

-

H

-

G

-

K

-

M

F

M

F

S

D

K

K

E

A

E

E

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

A

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

V

D

Q

G

A

P

P

S

D

F

L

E

E

E

T

F

Y

L

L

G

G

D

D

A

A

K

R

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

P

K

A

G

G

M

T

E

V

V

A

L

I

G

G

P

G

P

M

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G
x
M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

T

H

T

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

I

S

P

P

P

E

E

M

M

Y

D

G

L

V

S

E

Q

V

A

S

Q

S

I

P

P

H

-

G

-

H

-

A

-

L

-

R

-

C

-

I

-

D

T

L

K

G

G

R

N

K

Q

I

F

R

R

R

A

M

A

T

W

G

G

L

G

D

H

P

G

D

S

V

G

L

W

S

Y

V

V

D

D

E

E

K

P

L

G

N
x
S

A

L

L

L

P

A

P

V

A

M

G

G

-

P

-

K

M

V

T

T

K

Q

E

Y

M

W

V

T

E

E

Q

G

L

P

K

A

R

A

N

E

L

L

T

A

P

E

E

Q

Q

R

L

L

H

G

V

-

Q

H

T

T

S

G

M

M

P

P

P

V

Q

R

-

R

-

M

V

V

G

G

-

Q

-
x
H

-

M

G

T

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I
x
L

P

P

Q

A

A
x
M

D

N

G

-

S

-

V

-

V

-

G

-

S

-

M

-

T

Q

M

I

H

R

A

V

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

L

A

V

E

D

K

A

D

D

A

A

P

P

Q

A

E

E

L

I

R

K

D

E

K

E

M

Y

L

R

R

R

Q

H

T

N

I

I

Q

R

L

N

F
|
F

G

S

T

A

S

G

G

G

M

V

V
x
F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

K

A

G

A

L

K

R

G

G

A

Y

Q

K

G

A

K

K

K

S

M

Q

T

P

L

F

K

N

Y

A

Q

Q

active site: H106 (= H114), D204 (= D216), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding 2-chlorodibenzofuran: Q200 (= Q212), F201 (≠ S213), D204 (= D216), M205 (≠ G217), H207 (= H219), A208 (≠ T220), S257 (≠ N290), H297 (vs. gap), L307 (≠ I338), M310 (≠ A341), F352 (= F390), F358 (≠ V396)
binding fe (ii) ion: Q200 (= Q212), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding fe2/s2 (inorganic) cluster: C83 (= C91), H85 (= H93), R86 (= R94), M88 (= M96), C103 (= C111), Y105 (= Y113), H106 (= H114), W108 (= W116)

2yfjA Crystal structure of biphenyl dioxygenase variant rr41 with dibenzofuran (see paper)
33% identity, 85% coverage: 29:424/466 of query aligns to 21:386/433 of 2yfjA

query
sites
2yfjA

R

R

A

I

L

Y

S

A

D

D

P

Q

E

S

L

L

Y

Y

E

E

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

L

L

L

G

G

H

H

E

E

S

S

E

H

I

V

P

P

N

E

S

T

G

G

D

D

F

F

V

L

T

A

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

V

V

M

T

V

R

R

D

Q

K

K

S

D

G

K

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

C

T

R

L

S

D

D

A

A

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

S

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

K

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

-

H

-

G

-

K

-

M

F

M

F

S

D

K

K

E

A

E

E

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

A

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

V

D

Q

G

A

P

P

S

D

F

L

E

E

E

T

F

Y

L

L

G

G

D

D

A

A

K

R

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

P

K

A

G

G

M

T

E

V

V

A

L

I

G

G

P

G

P

M

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G
x
M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

T

H

T

R
x
H

W

L

L

S

G

G

E

I

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

I

S

P

P

P

E

E

M

M

Y

D

G

L

V

S

E

Q

V

A

S

Q

S

I

P

P

H

-

G

-

H

-

A

-

L

-

R

-

C

-

I

-

D

T

L

K

G

G

R

N

K

Q

I

F

R

R

R

A

M

A

T

W

G

G

L

G

D

H

P

G

D

S

V

G

L

W

S

Y

V

V

D

D

E

E

K

P

L

G

N

S

A

L

L

L

P

A

P

V

A

M

G

G

-

P

-

K

M

V

T

T

K

Q

E

Y

M

W

V

T

E

E

Q

G

L

P

K

A

R

A

N

E

L

L

T

A

P

E

E

Q

Q

R

L

L

H

G

V

-

Q

H

T

T

S

G

M

M

P

P

P

V

Q

R

-

R

-

M

V

V

G

G

-

Q

-
x
H

-

M

G

T

I

I

F

F

P

P

N

T

V

C

L

S

F

F

G

-

F

-

V

-

Y

-

I
x
L

P

P

Q

A

A
x
M

D

N

G

-

S

-

V

-

V

-

G

-

S

-

M

-

T

Q

M

I

H

R

A

V

Y

W

V

H

P

P

K

R

G

G

P

P

D

N

K

E

L

I

E

E

F

V

V

W

N

A

W

F

I

T

F

L

A

V

E

D

K

A

D

D

A

A

P

P

Q

A

E

E

L

I

R

K

D

E

K

E

M

Y

L

R

R

R

Q

H

T

N

I

I

Q

R

L

N

F
|
F

G

S

T

A

S

G

G

G

M

V

V
x
F

E

E

Q

Q

D

D

D
|
D

S

G

D

E

T

N

W

W

P

V

H

E

M

I

T

Q

L

K

A

G

A

L

K

R

G

G

A

Y

Q

K

G

A

K

K

K

S

M

Q

T

P

L

F

K

N

Y

A

Q

Q

active site: H106 (= H114), D204 (= D216), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding dibenzofuran: Q200 (= Q212), F201 (≠ S213), D204 (= D216), M205 (≠ G217), H207 (= H219), A208 (≠ T220), H297 (vs. gap), L307 (≠ I338), M310 (≠ A341), F352 (= F390), F358 (≠ V396)
binding fe (ii) ion: Q200 (= Q212), H207 (= H219), H213 (≠ R225), D362 (= D400)
binding fe2/s2 (inorganic) cluster: C83 (= C91), H85 (= H93), R86 (= R94), M88 (= M96), C103 (= C111), Y105 (= Y113), H106 (= H114), W108 (= W116)

3gzxA Crystal structure of the biphenyl dioxygenase in complex with biphenyl from comamonas testosteroni sp. Strain b-356 (see paper)
31% identity, 87% coverage: 18:421/466 of query aligns to 10:390/440 of 3gzxA

query
sites
3gzxA

L

L

V

V

N

D

V

Q

N

D

T

N

R

G

E

K

V

L

Q

D

M

A

R

R

A

I

L

Y

S

A

D

D

P

Q

E

D

L

L

Y

Y

E

Q

L

L

E

E

M

L

E

E

R

R

I

V

F

F

G

G

K

R

I

S

W

W

V

L

F

M

L

L

G

G

H

H

E

E

S

T

E

H

I

I

P

P

N

K

S

I

G

G

D

D

F

Y

V

L

T

T

R

T

D

Y

M

M

G

G

S

E

D

D

S

P

V

V

L

I

V

M

T

V

R

R

D

Q

K

K

S

D

G

Q

E

S

V

I

H

K

V

V

L

F

L

L

N

N

L

Q

C
|
C

T

R

H
|
H

R
|
R

G

G

M
|
M

R

R

V

I

S

V

T

R

L

S

D

D

A

G

G

G

N

N

T

A

Q

K

I

A

H

F

T

T

C
|
C

I

T

Y
|
Y

H
|
H

G

G

W
|
W

A

A

F

Y

R

D

P

I

N

A

G

G

A

N

F

L

L

V

G

N

A

V

P

P

V

F

E

E

K

K

E

E

T

A

M

F

H

C

G

D

K

K

M

K

-

E

-

G

-

D

-

C

-

G

M

F

S

D

K

K

E

A

E

D

L

W

G

G

L

P

K

L

K

Q

A

A

R

R

V

V

T

E

L

T

Y

Y

G

K

G

G

L

L

I

V

F

F

A

A

T

N

W

W

N

D

I

P

D

E

G

A

P

P

S

D

F

L

E

K

E

T

F

Y

L

L

G

S

D

D

A

A

K

M

W

P

Y

Y

Y

M

D

D

I

V

L

M

F

L

K

D

R

R

T

T

D

E

K

A

G

G

M

T

E

E

V

A

L

I

G

G

P

G

P

I

Q

Q

R

K

F

W

T

V

V

I

R

P

A

C

N

N

W

W

K

K

A

F

A

A

G

A

E

E

Q
|
Q

S
x
F

A

C

A

S

D
|
D

G

M

Y

Y

H
|
H

T
x
A

L

G

T

T

L

M

H

S

R
x
H

W

L

L

S

G

G

E

V

V

L

G

A

N

G

Y

-

S

-

K

-

K

-

G

-

E

-

G

-

E

-

G

-

S

-

G

-

G

-

D

-

L

L

S

P

P

P

E

E

M

M

Y

D

G

L

V

T

E

Q

V

I

S

Q

-

L

S

S

P

K

H

N

G

G

H

N

A

Q

L

F

R

R

C

S

I

A

D

W

L

G

G

G

R

H

K

G

I

A

R

G

R

W

M

F

T

I

G

N

L

D

D

S

P

S

D

I

V

L

L

L

S

S

V

V

-

V

-

G

-

P

-

K

-

I

D

T

E

Q

K

Y

L<